Pipecolic acid, (-)-

HCID 439227CAS 3105-95-1

基本情報

標準SMILES: O=C(O)[C@@H]1CCCCN1
InChIKey: HXEACLLIILLPRG-YFKPBYRVSA-N
分子式: C6H11NO2
平均分子量: 129.16 g/mol
単同位体質量: 129.07897859

概要

L-pipecolic acid is the L-enantiomer of pipecolic acid. It is a metabolite of lysine. It has a role as a plant metabolite and a human metabolite. It is a conjugate acid of a L-pipecolate. It is an enantiomer of a D-pipecolic acid. It is a tautomer of a L-pipecolic acid zwitterion.

名称と識別子

優先名称: Pipecolic acid, (-)-
IUPAC: (2S)-piperidine-2-carboxylic acid

名称と別名

l-Pipecolic acid(S)-Piperidine-2-carboxylic acidL-Homoproline(2S)-piperidine-2-carboxylic acidL-Pipecolinic acid2-Piperidinecarboxylic acid, (2S)-Pipecolic acid, (-)-(S)-pipecolic acid(-)-Pipecolic acidL-(-)-pipecolic acid(S)-(-)-pipecolic acid(S)-Pipecolinic acid

名称をさらに表示

Pipecolic acid, L-(-)-EINECS 221-462-1NSC 93089Pipecolic acid, L-(-)-PIPECOLINIC ACIDCHEBI:30913DTXSID401035840PIPECOLIC ACID L-FORM [MI]

データベース識別子

CAS: 3105-95-1
PubChem CID: 439227
DTXSID: DTXSID401035840
ChEMBL: CHEMBL322883
ChEBI: CHEBI:30913
UNII: 69374CKB33
EC Number: 221-462-1
Nikkaji: J215.717I

物性

構造計算による物性

XLogP: -2.3
極性表面積: 49.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 114

実験および物理化学的性質

Melting Point272 °C

Physical DescriptionSolid

Collision Cross Section · 3 件

126.71 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

133.82 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

128.9 Å² [M-H]-

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.